Update README.md

README.md

@@ -1,3 +1,35 @@
----
-license: mit
----
+---
+license: mit
+name: MPTS-52-CSP
+tags:
+  - crystal-generation
+  - materials-design
+  - materials-discovery
+  - structure-prediction
+  
+---
+# Description
+This is an [OMatG (Open Materials Generation)](https://github.com/FERMat-ML/OMatG) model for crystal structure prediction 
+(CSP) of inorganic crystals trained on the MPTS-52 (Materials Project Time Splits) dataset.  
+  
+This dataset is also included in OMatG.  
+  
+The subdirectories in this repository contain various model hyperparameters and training checkpoints for a 
+variety of MTPS-52-CSP models.  
+
+# Uses
+The checkpoints and model hyperparameters can be used for prediction of crystalline structures with 
+OMatG, 
+as described in the [this README.md file](https://github.com/FERMat-ML/OMatG/blob/main/README.md)
+
+# Recommendations
+The [Linear-ODE checkpoints](https://huggingface.co/OMatG/MPTS-52-CSP/tree/main/Linear-ODE) 
+currently provide the best results with respect to structure stability, novelty, and uniqueness.
+
+# Citation
+Please cite [our paper on OpenReview](https://openreview.net/forum?id=gHGrzxFujU) if using OMatG.
+
+# Links
+[OMatG on GitHub](https://github.com/FERMat-ML/OMatG): See this repository for OMatG installation, training and usage instructions.  
+[KIM Initiative](https://kim-initiative.org/): Knowledgebase of Interatomic Models. Tools and resources for researchers in materials science and chemistry.  
+[Fermat-ML on GitHub](https://github.com/FERMat-ML): Foundational Representation of Materials. Machine learning foundation model for materials and chemistry discovery.